Marc C. Deller, D.Phil.
marcdeller.com eloratherapeutics.com marc@marcdeller.com GitHub DOI 10.5281/zenodo.21807353 
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PETase ANnotation and Triage System

Nature's solution to a human-made problem, and structural learnings from Nature

PANTS-6df6e44c325d

Human gut 281 aa · assembly ERZ4561292_FASTA_predicted_cds · contig ERZ4561292.149775-Hadza-MoBio-hadza-A-D-D-16-1621--NODE-149775-length-1659-cov-4.731353_2

Retrieval

E-value3.30e-09
Bitscore23.9
Identity to nearest0.225
Nearest characterisedHGMP04

Structure

Methodesmfold
Mean pLDDT86.5
RMSD to IsPETase15.97 Å
Aligned fraction0.219

Aligned fraction is a length-normalised gemmi superposition statistic, not a true TM-score.

Active site

TriadS168/D225/H258
Ser–His3.06 Å
His–Asp2.96 Å
Cleft width20.46 Å
Cleft depth3.61 Å

Aromatic clamp: PHE104, PHE106, PHE122, PHE260, TRP109, TRP121, TYR133, TYR192, TYR76, TYR84

Structure, superposed on IsPETase

Catalytic triad drawn as ball-and-stick from the measured residues.

Sequence

MKKWKEAVLIGAGAFAVVAGIAAIVCVGHYVGFPEPAGLKKTDYRTEELRVEYDGISLYGKALIPDGDGPFPTVLYAHGAESDYKADMTTLKSLAMSGIACYTFDFYGWTDRSTGPQGVHWFHDVPRGVDDSYEKKVLQQVEDLNAVIEAAKGWDFVDTSRLYLVGSSMGGATVATAAVTHSDDIRGIVLQYPAINLNPDATVSGAPLDVNGYTGPVLILQGTKDVIVPMEMSQNLTAHYNTLRDDHAELIIYEGQPHVFTGKYKVLAAKEIYRFLEETAS